SCHEMBL6160713

SCHEMBL6160713

COC(=O)Oc1cc(N)c(C)c(OC(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
GAA P10253 4/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
JAK2 O60674 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CUL4A Q13619 2/20 0.33
GLA P06280 2/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6160710 0.80 KDM4E (0.39) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8777789 0.77 ALDH1A1 (0.47) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL9237989 0.74 KMT2A (0.42) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8777826 0.74 CYP19A1 (0.40) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8426699 0.71 MEN1 (0.49) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL17355768 0.71 HDAC1 (0.46) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL14001986 0.70 KDM4E (0.44) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL16416412 0.70 PIK3CA (0.42) KDM4EHPGDHSD17B10ALDH1A1GLA
SCHEMBL11567903 0.70 MAPT (0.43) KDM4EHPGDHSD17B10ALDH1A1MAPT
SCHEMBL7865611 0.69 MAPT (0.37) KDM4EALDH1A1MAPTGAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed